N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

C15H21N5O2 — CID 125160794

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOCCn1cncc1CNc1cc([C@@H]2CCOC2)ncn1
InChIInChI=1S/C15H21N5O2/c1-21-5-3-20-11-16-7-13(20)8-17-15-6-14(18-10-19-15)12-2-4-22-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,18,19)/t12-/m1/s1
InChIKeyGQYNPNKJGSBVGM-GFCCVEGCSA-N
MW303.37 g/mol
LogP1.44
Rot. Bonds7

About N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 125160794) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID125160794
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOCCn1cncc1CNc1cc([C@@H]2CCOC2)ncn1
InChIInChI=1S/C15H21N5O2/c1-21-5-3-20-11-16-7-13(20)8-17-15-6-14(18-10-19-15)12-2-4-22-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,18,19)/t12-/m1/s1
InChIKeyGQYNPNKJGSBVGM-GFCCVEGCSA-N
XLogP1.44
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (CID 125160794) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is COCCn1cncc1CNc1cc([C@@H]2CCOC2)ncn1.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is GQYNPNKJGSBVGM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-21-5-3-20-11-16-7-13(20)8-17-15-6-14(18-10-19-15)12-2-4-22-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,18,19)/t12-/m1/s1.
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 125160794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).